diff --git a/src/adjmat/ClusterDiameter.cpp b/src/adjmat/ClusterDiameter.cpp index 24539a64414c4a589b6cb356521c15506427cf67..356a824ffeed0c57be0fc6526f20a2f0ed6f8789 100644 --- a/src/adjmat/ClusterDiameter.cpp +++ b/src/adjmat/ClusterDiameter.cpp @@ -96,7 +96,7 @@ void ClusterDiameter::calculate(){ void ClusterDiameter::performTask( const unsigned& task_index, const unsigned& current, MultiValue& myvals ) const { unsigned iatom=std::floor(current/getNumberOfNodes()), jatom = current - iatom*getNumberOfNodes(); Vector distance=getSeparation( getPosition(iatom), getPosition(jatom) ); - double dd = distance.modulo(), inv = 1.0/dd ; + double dd = distance.modulo(); myvals.setValue( 0, 1.0 ); myvals.setValue( 1, dd ); } diff --git a/src/crystallization/OrientationSphere.cpp b/src/crystallization/OrientationSphere.cpp index 8d311203eeefc836dba95ab09c1349187a4486bf..b49bd690a694bd30218d93636ffae2886a50b17d 100644 --- a/src/crystallization/OrientationSphere.cpp +++ b/src/crystallization/OrientationSphere.cpp @@ -72,7 +72,6 @@ double OrientationSphere::compute( const unsigned& tindex, multicolvar::AtomValu unsigned ncomponents=getBaseMultiColvar(0)->getNumberOfQuantities(); std::vector<double> catom_orient( ncomponents ), this_orient( ncomponents ), catom_der( ncomponents ); - Vector catom_pos = myatoms.getPosition(0); getVectorForTask( myatoms.getIndex(0), true, catom_orient ); multicolvar::CatomPack atom0; MultiValue& myder0=getVectorDerivatives( myatoms.getIndex(0), true ); diff --git a/src/mapping/Mapping.cpp b/src/mapping/Mapping.cpp index 84f5b9f338cae37eef27c814348baa9671afa53a..83e238c07b315c2325d87ce6bc917eb6fddac449 100644 --- a/src/mapping/Mapping.cpp +++ b/src/mapping/Mapping.cpp @@ -138,7 +138,7 @@ void Mapping::prepare(){ // Duplicate all frames (duplicates are used by sketch-map) mymap->duplicateFrameList(); // Get the number of frames in the path - unsigned nfram=getNumberOfReferencePoints(); + // unsigned nfram=getNumberOfReferencePoints(); // fframes.resize( 2*nfram, 0.0 ); dfframes.resize( 2*nfram, 0.0 ); plumed_assert( !mymap->mappingNeedsSetup() ); // Resize all derivative arrays diff --git a/src/vesselbase/ActionWithVessel.cpp b/src/vesselbase/ActionWithVessel.cpp index 6c0380ee522b7f54b5f6d18e29a3e9700acdd309..b1df3ea5cee377621e53ef599044a591b54a051c 100644 --- a/src/vesselbase/ActionWithVessel.cpp +++ b/src/vesselbase/ActionWithVessel.cpp @@ -56,8 +56,8 @@ ActionWithVessel::ActionWithVessel(const ActionOptions&ao): noderiv(true), actionIsBridged(false), nactive_tasks(0), - mydata(NULL), contributorsAreUnlocked(false), + mydata(NULL), weightHasDerivatives(false), stopwatch(*new Stopwatch), dertime_can_be_off(false), diff --git a/src/vesselbase/StoreDataVessel.cpp b/src/vesselbase/StoreDataVessel.cpp index e20d61b092e74a1ebbc1814d1a1af29fd62530fd..2c871dea8778a260a4b46c3e5d621f44329f30f7 100644 --- a/src/vesselbase/StoreDataVessel.cpp +++ b/src/vesselbase/StoreDataVessel.cpp @@ -32,8 +32,8 @@ StoreDataVessel::StoreDataVessel( const VesselOptions& da ): Vessel(da), max_lowmem_stash(3), vecsize(0), -hard_cut(false), -nspace(0) +nspace(0), +hard_cut(false) { ActionWithValue* myval=dynamic_cast<ActionWithValue*>( getAction() ); if( !myval ) hasderiv=false;